2-fluoro-6-(pyrrolidin-1-yl)-4-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase编号: 51555
• 分子式: C14H19FN2Si
• 平均质量: 262.3979632
• 单一同位素质量: 262.13015337
• SMILES: c1c(nc(cc1C#C[Si](C)(C)C)N1CCCC1)F
• Canonical SMILES: Fc1nc(cc(c1)C#C[Si](C)(C)C)N1CCCC1
• InChI: InChI=1S/C14H19FN2Si/c1-18(2,3)9-6-12-10-13(15)16-14(11-12)17-7-4-5-8-17/h10-11H,4-5,7-8H2,1-3H3
• InChIKey: IVFWWHMZDDTGTK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoro-6-(pyrrolidin-1-yl)-4-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC传统名: 2-fluoro-6-(pyrrolidin-1-yl)-4-[2-(trimethylsilyl)ethynyl]pyridine
• 别名: 2-Fluoro-6-(pyrrolidin-1-yl)-4-((trimethylsilyl)ethynyl)pyridine; 2-Fluoro-6-(pyrrolidin-1-yl)-4-((trimethylsilyl)ethynyl)pyridine; 2-Fluoro-6-(pyrrolidin-1-yl)-4-((trimethylsilyl)-ethynyl)pyridine

登记号

• MDL号: MFCD15530253
• PubChem SID: 162056318
• PubChem CID: 46318070

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.6191974
• LogD (pH = 7.4): 4.6191998
• Log P: 4.6192
• 摩尔折射率: 67.6519 cm^3
• 极化性: 27.896183 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C14H19FN2Si

详细说明

Sigma Aldrich - ADE000094

Other Notes
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